CID 135418284

4(3h)-pteridinone, 2-(ethoxymethyl)-

Structural Information

Molecular Formula
C9H10N4O2
SMILES
CCOCC1=NC2=NC=CN=C2C(=O)N1
InChI
InChI=1S/C9H10N4O2/c1-2-15-5-6-12-8-7(9(14)13-6)10-3-4-11-8/h3-4H,2,5H2,1H3,(H,11,12,13,14)
InChIKey
SFWVULIFVPNTOF-UHFFFAOYSA-N
Compound name
2-(ethoxymethyl)-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

53
Patents

206.08037 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08765 144.4
[M+Na]+ 229.06959 154.9
[M-H]- 205.07309 142.5
[M+NH4]+ 224.11419 158.4
[M+K]+ 245.04353 150.8
[M+H-H2O]+ 189.07763 135.5
[M+HCOO]- 251.07857 162.4
[M+CH3COO]- 265.09422 183.1
[M+Na-2H]- 227.05504 153.8
[M]+ 206.07982 146.1
[M]- 206.08092 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe